U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18N3O.BF4
Molecular Weight 307.095
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzenediazonium, 4-(diethylamino)-2-ethoxy-, tetrafluoroborate(1-)

SMILES

F[B-](F)(F)F.CCOC1=C(C=CC(=C1)N(CC)CC)[N+]#N

InChI

InChIKey=ZDYXCTXUWJOXLL-UHFFFAOYSA-N
InChI=1S/C12H18N3O.BF4/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;2-1(3,4)5/h7-9H,4-6H2,1-3H3;/q+1;-1

HIDE SMILES / InChI

Molecular Formula C12H18N3O
Molecular Weight 220.2908
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BF4
Molecular Weight 86.805
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:00:36 GMT 2023
Edited
by admin
on Sat Dec 16 12:00:36 GMT 2023
Record UNII
K6VT9V44MC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenediazonium, 4-(diethylamino)-2-ethoxy-, tetrafluoroborate(1-)
Common Name English
Benzenediazonium, 4-(diethylamino)-2-ethoxy-, tetrafluoroborate(1-) (1:1)
Systematic Name English
4-(Diethylamino)-2-ethoxybenzenediazonium tetrafluoroborate
Systematic Name English
Code System Code Type Description
CAS
584-59-8
Created by admin on Sat Dec 16 12:00:36 GMT 2023 , Edited by admin on Sat Dec 16 12:00:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-540-3
Created by admin on Sat Dec 16 12:00:36 GMT 2023 , Edited by admin on Sat Dec 16 12:00:36 GMT 2023
PRIMARY
PUBCHEM
68507
Created by admin on Sat Dec 16 12:00:37 GMT 2023 , Edited by admin on Sat Dec 16 12:00:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID8060404
Created by admin on Sat Dec 16 12:00:37 GMT 2023 , Edited by admin on Sat Dec 16 12:00:37 GMT 2023
PRIMARY
FDA UNII
K6VT9V44MC
Created by admin on Sat Dec 16 12:00:37 GMT 2023 , Edited by admin on Sat Dec 16 12:00:37 GMT 2023
PRIMARY